6-azanylidene-1-methyl-3-(3-phenoxyphenyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Systemtic Name: 6-azanylidene-1-methyl-3-(3-phenoxyphenyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 6-imino-1-methyl-3-(3-phenoxyphenyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-1-methyl-3-(3-phenoxyphenyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 6-imino-1-methyl-3-(3-phenoxyphenyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 6-imino-1-methyl-3-(3-phenoxyphenyl)-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CCCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C25H22N4O3/c1-3-8-20-23(2)31-21(24(14-26,15-27)25(20,16-28)22(29)32-23)17-9-7-12-19(13-17)30-18-10-5-4-6-11-18/h4-7,9-13,20-21,29H,3,8H2,1-2H3